1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide

C16H16N6O2 — CID 66623691

IUPAC1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide
SMILESCc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2ncc[nH]2)c(C)c1
InChIInChI=1S/C16H16N6O2/c1-9-3-4-11(10(2)7-9)22-8-20-12(14(17)23)13(22)15(24)21-16-18-5-6-19-16/h3-8H,1-2H3,(H2,17,23)(H2,18,19,21,24)
InChIKeyHSQOUJOGCSYGNK-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.56
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide

1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide (PubChem CID 66623691) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide
PubChem CID66623691
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide
SMILESCc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2ncc[nH]2)c(C)c1
InChIInChI=1S/C16H16N6O2/c1-9-3-4-11(10(2)7-9)22-8-20-12(14(17)23)13(22)15(24)21-16-18-5-6-19-16/h3-8H,1-2H3,(H2,17,23)(H2,18,19,21,24)
InChIKeyHSQOUJOGCSYGNK-UHFFFAOYSA-N
XLogP1.56
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)-5-N-(pyridin-3-ylmethyl)imidazole-4,5-dicarboxamide
CID 66623714
5-N-[6-[2-(benzylamino)-2-oxoethoxy]-1H-benzimidazol-2-yl]-1-(2,4-dimethylphenyl)imidazole-4,5-dicarboxamide
CID 66623193
1-(2,4-dimethylphenyl)-5-N-[6-[2-oxo-2-(2-phenylethylamino)ethoxy]-1H-benzimidazol-2-yl]imidazole-4,5-dicarboxamide
CID 66623321
2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide
CID 112524336
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 55212567
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
N-(1H-imidazol-2-yl)-5-methyl-2-nitrobenzamide
CID 65461031
2-hydroxy-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 60968361
4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 115694734
1-(5-bromo-2-methylphenyl)-5-N-[6-(piperidin-4-ylmethoxy)-1H-benzimidazol-2-yl]imidazole-4,5-dicarboxamide
CID 66623217
4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
CID 55027633

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide (CID 66623691) is 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide is Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2ncc[nH]2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide?
The InChIKey is HSQOUJOGCSYGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9-3-4-11(10(2)7-9)22-8-20-12(14(17)23)13(22)15(24)21-16-18-5-6-19-16/h3-8H,1-2H3,(H2,17,23)(H2,18,19,21,24).
What are the key properties of 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide?
1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).